ELECTRON MOMENTUM SPECTROSCOPY OF [1.1.1]PROPELLANE

被引:10
作者
ADCOCK, W
BRUNGER, MJ
CLARK, CI
MCCARTHY, IE
WEIGOLD, E
MICHALEWICZ, MT
WINKLER, DA
机构
[1] FLINDERS UNIV S AUSTRALIA,DEPT PHYS,ADELAIDE,SA 5001,AUSTRALIA
[2] AUSTRALIAN NATL UNIV,INST ADV STUDIES,CANBERRA,ACT 0200,AUSTRALIA
[3] CSIRO,DIV INFORMAT TECHNOL,CARLTON,VIC 3053,AUSTRALIA
[4] CSIRO,DIV CHEM & POLYMERS,CLAYTON,VIC 3168,AUSTRALIA
[5] TECH UNIV CAROLO WILHELMINA BRAUNSCHWEIG,INST PHYS & THEORET CHEM,D-38106 BRAUNSCHWEIG,GERMANY
基金
澳大利亚研究理事会;
关键词
D O I
10.1016/0009-2614(95)00962-4
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The first complete valence shell electron separation energy spectra are measured for [1.1.1]propellane by electron momentum spectroscopy at a total energy of 1000 eV, Momentum densities (cross sections) are obtained at two well-separated momenta, one close to zero (p approximate to 0.16 au), the other at p approximate to 0.77 au, to highlight respectively the s and p symmetries of the valence orbitals. Many-body calculations of the separation energies and spectroscopic factors using Green function methods are carried out and compared with the present data in order to interpret and understand the measured separation energy spectra.
引用
收藏
页码:433 / 439
页数:7
相关论文
共 18 条
[1]  
ADCOCK W, UNPUB CHEM PHYS
[2]   SOLVENT-FREE [1.1.1]PROPELLANE FROM 1,3-DIIODOBICYCLO[1.1.1]PENTANE [J].
ALBER, F ;
SZEIMIES, G .
CHEMISCHE BERICHTE-RECUEIL, 1992, 125 (03) :757-758
[3]   GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J].
ALMLOF, J ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4070-4077
[4]  
ANDERSSON K, 1991, MOLCAS2 U LUND
[5]   ELECTRON MOMENTUM SPECTROSCOPY OF THE VALENCE ORBITALS OF H2O AND D2O - QUANTITATIVE COMPARISONS USING HARTREE-FOCK LIMIT AND CORRELATED WAVE-FUNCTIONS [J].
BAWAGAN, AO ;
BRION, CE ;
DAVIDSON, ER ;
FELLER, D .
CHEMICAL PHYSICS, 1987, 113 (01) :19-42
[6]   (E,2E) SPECTROSCOPY [J].
COPLAN, MA ;
MOORE, JH ;
DOERING, JP .
REVIEWS OF MODERN PHYSICS, 1994, 66 (03) :985-1014
[8]   ELECTRON COINCIDENCE SPECTROSCOPY OF SODIUM AND POTASSIUM [J].
FROST, L ;
WEIGOLD, E .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1982, 15 (15) :2531-2538
[9]   PHOTOELECTRON-SPECTRUM OF [1.1.1]PROPELLANE - EVIDENCE FOR A NONBONDING MO [J].
HONEGGER, E ;
HUBER, H ;
HEILBRONNER, E ;
DAILEY, WP ;
WIBERG, KB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (24) :7172-7174
[10]   WAVEFUNCTION MAPPING IN COLLISION EXPERIMENTS [J].
MCCARTHY, IE ;
WEIGOLD, E .
REPORTS ON PROGRESS IN PHYSICS, 1988, 51 (03) :299-392